Sydnone, diphenyl-
Basic information
- CAS
3815-83-6- Standard SMILES
[O-]c1on[n+](-c2ccccc2)c1-c1ccccc1- InChIKey
PGIGJNLLKIEZGR-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- Sydnone, diphenyl-
- IUPAC
- 3,4-diphenyloxadiazol-3-ium-5-olate
- English name
- 3,4-Diphenyl-5-oxylato-1,2,3-oxadiazole-3-ium
- Molecular weight
- 0
Names & synonyms
Sydnone, diphenyl-3,4-Diphenylsydnone3815-83-6Sydnone, 3,4-diphenyl-NSC167095Sydnone,4-diphenyl-3,4-diphe-nylsydnone3, 4-Diphenylsydnone3,4-Diphenyl-5-oxylato-1,2,3-oxadiazole-3-iumSCHEMBL5472060SCHEMBL54720623,4-diphenyloxadiazol-3-ium-5-ol
Show more names
5-Oxylato-3,4-diphenyl-1,2,3-oxadiazol-3-ium
NSC-1670951,2,3-Oxadiazolium, 2,5-dihydro-5-oxo-3,4-diphenyl-, inner salt
Database identifiers
- CAS
3815-83-6- PubChem CID
- 520884
- Nikkaji
- J114.414F、J2.678.228G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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